Ethyl 2-oxobutanoate

Base Information

• Chemical Name: Ethyl 2-oxobutanoate
• CAS No.: 15933-07-0
• Molecular Formula: C6H10 O3
• Molecular Weight: 130.144
• Hs Code.: 2918300090
• European Community (EC) Number: 240-071-7
• DSSTox Substance ID: DTXSID40166639
• Nikkaji Number: J132.336I
• Wikidata: Q72472151
• ChEMBL ID: CHEMBL170142
• Mol file: 15933-07-0.mol

Synonyms:ethyl 2-oxobutanoate;15933-07-0;Butanoic acid, 2-oxo-, ethyl ester;ethyl 2-ketobutyrate;2-Oxo-butyric acid ethyl ester;Ethyl 3-oxobutanoate sodium salt;Ethyl 3-methylpyruvate;EINECS 240-071-7;MFCD03265336;AI3-08324;Ethyl a-oxobutyrate;Ethyl2-oxobutanoate;ethyl 2-oxobutyrate;Ethyl a-ketobutyrate;ethyl-.alpha.-ketobutyrate;2-KetobutyricAcidEthylEster;SCHEMBL113371;2-oxobutanoic acid ethyl ester;CHEMBL170142;DTXSID40166639;BCP31462;RB3244;AKOS005174534;CS-W005382;GS-3984;SY025393;AM20080427;BB 0220356;FT-0683921;EN300-20844;A810022;6-bromo-2,4-dimethyl-1,2,4-triazine-3,5-dione;Ethyl 2-oxobutanoate

Chemical Property of Ethyl 2-oxobutanoate

Chemical Property:

• Appearance/Colour: COA
• Melting Point: 168 ºC (dec.)
• Refractive Index: 1.4730 (estimate)
• Boiling Point: 162.05°C (estimate)
• PSA: 43.37000
• Density: 1.1066 (rough estimate)
• LogP: 0.52860
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 118

Purity/Quality:

98% ^*data from raw suppliers

Ethyl2-oxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(=O)OCC
• Uses: Ethyl 2-oxobutanoate

Technology Process of Ethyl 2-oxobutanoate

There total 22 articles about Ethyl 2-oxobutanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

2-Oxobutyric acid (600-18-0) + ethanol (64-17-5) → Ethyl 2-oxobutanoate (15933-07-0)

Guidance literature:

sulfuric acid; for 4h; Reflux;

Reference yield: 87.7%

ethyl 2-methylenebutyrate (3070-65-3) → Ethyl 2-oxobutanoate (15933-07-0)

Guidance literature:

With ozone; In ethanol;

Reference yield: 80.0%

C12H18N2O3 + methyl iodide (74-88-4) → Ethyl 2-oxobutanoate (15933-07-0)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at -80 ℃; for 4h;

DOI:10.1002/ejoc.200300410

upstream raw materials:

2-Oxobutyric acid

ethanol

ethyl 2-hydroxybutyrate

ethyl 3-oxooctanoate

Downstream raw materials:

3-hydroxy-3-methyl-pentan-2-one

2-phenylhydrazono-butyric acid ethyl ester

ethyl (Z)-2-(N-benzyloxycarbonylamino)-2-butenoate

2-Benzoyl-6-methyl-3,5-diphenyl-benzoesaeure-ethylester

Refernces

• 1、 Yu,Schwartz. "Tungsten complex induced dehydration of 2,3-dihydroxycarboxylic acids to α-keto acids". . p. 6791 - 6794. Retrieved 1992.
• 2、 Xu, Yuan-Yuan,Qian, An-Ran,Cao, Xu-Feng,Ling, Chen-Yu,Cao, Yong-Bing,Wang, Rui-Lian,Li, Yi-Su,Yang, Yu-She. "Design and synthesis of novel triazole derivatives containing γ-lactam as potential antifungal agents". . p. 703 - 706. Retrieved 2016.
• 3、 -. "Method for synthesizing ethyl cucurbituride lactone spice". Paragraph 0025-0036. . Retrieved 2021/11/14.
• 4、 -. "Production method of dimethylhydroxyfuranone synthetic perfume". Paragraph 0036-0047; 0057-0068. . Retrieved 2019/11/12.